3-Chloro-5-(trifluoromethyl)pyridin-2-amine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.04392 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H4ClF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12) | |
| Note 1 | 13?14 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3-Chloro-5-(trifluoromethyl)pyridin-2-amine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 13 | 14 | |
|---|---|---|
| 13 | 7.975 | 1.5 |
| 14 | 0 | 8.228 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.97421 | 1.00015 | standard |
| 7.97603 | 1.00015 | standard |
| 8.22684 | 1.00015 | standard |
| 8.22866 | 1.00015 | standard |
| 7.98943 | 1.0 | standard |
| 8.21344 | 1.0 | standard |
| 7.96664 | 0.916228 | standard |
| 7.98459 | 1.0 | standard |
| 8.21828 | 1.0 | standard |
| 8.23622 | 0.916228 | standard |
| 7.96856 | 0.936163 | standard |
| 7.98228 | 1.0 | standard |
| 8.22059 | 1.0 | standard |
| 8.2343 | 0.936163 | standard |
| 7.96922 | 0.942979 | standard |
| 7.98146 | 1.00001 | standard |
| 8.22141 | 1.00001 | standard |
| 8.23365 | 0.942979 | standard |
| 7.96979 | 0.948613 | standard |
| 7.9808 | 1.0 | standard |
| 8.22206 | 1.0 | standard |
| 8.23308 | 0.948613 | standard |
| 7.97234 | 0.973585 | standard |
| 7.97798 | 1.00002 | standard |
| 8.22489 | 1.00002 | standard |
| 8.23053 | 0.973585 | standard |
| 7.97321 | 1.00001 | standard |
| 7.97703 | 1.00002 | standard |
| 8.22584 | 1.00002 | standard |
| 8.22966 | 1.00001 | standard |
| 7.97379 | 1.00001 | standard |
| 7.97644 | 1.00001 | standard |
| 8.22642 | 1.00001 | standard |
| 8.22907 | 1.00001 | standard |
| 7.97394 | 1.00016 | standard |
| 7.9763 | 1.00016 | standard |
| 8.22657 | 1.00016 | standard |
| 8.22893 | 1.00016 | standard |
| 7.97421 | 1.00015 | standard |
| 7.97603 | 1.00015 | standard |
| 8.22684 | 1.00015 | standard |
| 8.22866 | 1.00015 | standard |
| 7.97438 | 1.0 | standard |
| 7.97586 | 1.0 | standard |
| 8.22701 | 1.0 | standard |
| 8.22849 | 1.0 | standard |
| 7.97444 | 1.00025 | standard |
| 7.9759 | 1.00025 | standard |
| 8.22694 | 0.981344 | standard |
| 8.22856 | 0.981343 | standard |
| 7.97441 | 1.00049 | standard |
| 7.97582 | 1.00049 | standard |
| 8.22704 | 1.00049 | standard |
| 8.22845 | 1.00049 | standard |
| 7.97449 | 1.00005 | standard |
| 7.97575 | 1.00005 | standard |
| 8.22711 | 1.00005 | standard |
| 8.22838 | 1.00005 | standard |
| 7.97458 | 1.00001 | standard |
| 7.97576 | 1.00001 | standard |
| 8.22711 | 1.00001 | standard |
| 8.22829 | 1.00001 | standard |
| 7.97458 | 1.0 | standard |
| 7.97566 | 1.0 | standard |
| 8.2272 | 1.0 | standard |
| 8.22829 | 1.0 | standard |
| 7.97475 | 1.00016 | standard |
| 7.97548 | 1.00016 | standard |
| 8.22738 | 1.00016 | standard |
| 8.22811 | 1.00016 | standard |